Product Name

  • Name

    SECOVERINE HYDROCHLORIDE

  • EINECS
  • CAS No. 57558-46-0
  • Density 0.999g/cm3
  • Solubility
  • Melting Point
  • Formula C22H35NO2•ClH
  • Boiling Point 471.8°Cat760mmHg
  • Molecular Weight 382.04
  • Flash Point 239.1°C
  • Transport Information
  • Appearance
  • Safety Poison by ingestion and intravenous routes. When heated to decomposition it emits toxic fumes of NOx and HCl.
  • Risk Codes
  • Molecular Structure Molecular Structure of 57558-46-0 (SECOVERINE HYDROCHLORIDE )
  • Hazard Symbols
  • Synonyms
  • PSA
  • LogP

Secoverine hydrochloride Chemical Properties

Molecule structure of Secoverine hydrochloride (CAS NO.57558-46-0) :

IUPAC Name: (4-cyclohexyl-4-oxobutyl)-ethyl-[1-(4-methoxyphenyl)propan-2-yl]azanium chloride 
Molecular Weight: 381.97974 g/mol
Molecular Formula: C22H36ClNO2 
Density: 0.999 g/cm3 
Boiling Point: 471.8 °C at 760 mmHg 
Flash Point: 239.1 °C
Index of Refraction: 1.514
Molar Refractivity: 104.15 cm3
Molar Volume: 345.5 cm3
Polarizability: 41.28×10-24 cm3
Surface Tension: 38.5 dyne/cm
Enthalpy of Vaporization: 73.46 kJ/mol
Vapour Pressure: 4.51E-09 mmHg at 25 °C
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 10
Tautomer Count: 3
Exact Mass: 381.243457
MonoIsotopic Mass: 381.243457
Topological Polar Surface Area: 30.7
Heavy Atom Count: 26
Complexity: 370
Canonical SMILES: CC[NH+](CCCC(=O)C1CCCCC1)C(C)CC2=CC=C(C=C2)OC.[Cl-]
InChI: InChI=1S/C22H35NO2.ClH/c1-4-23(16-8-11-22(24)20-9-6-5-7-10-20)18(2)17-19-12-14-21(25-3)15-13-19;/h12-15,18,20H,4-11,16-17H2,1-3H3;1H
InChIKey of Secoverine hydrochloride (CAS NO.57558-46-0) : YBNFCHDBXWWVCU-UHFFFAOYSA-N

Secoverine hydrochloride Toxicity Data With Reference

1.    

orl-rat LD50:369 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 30 (1980),1526.
2.    

ivn-rat LD50:17 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 30 (1980),1526.
3.    

orl-mus LD50:369 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 30 (1980),1526.
4.    

ivn-mus LD50:32 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 30 (1980),1526.

Secoverine hydrochloride Safety Profile

Poison by ingestion and intravenous routes. When heated to decomposition it emits toxic fumes of NOx and HCl.

Secoverine hydrochloride Specification

 Secoverine hydrochloride (CAS NO.57558-46-0) is also called 1-Cyclohexyl-4-(ethyl-(p-methoxy-alpha-methylphenethyl)amino)-1-butanone hydrochloride ; Secoverine HCl ; UNII-0R7XZP87ZX ; 1-Butanone, 1-cyclohexyl-4-(N-ethyl(p-methoxy-alpha-methylphenethyl)amino)-, hydrochloride .

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